Numerical Simulation of Crystallographic Corrosion: Particle Production and Surface Roughness
We use a cellular automaton model to describe corrosion of a metal with crystalline defects. The line defects are distributed over the material mimicking screw or edge dislocations. The line-defect density and the corrosion probabilities of the metal surface site are the model parameters accounting...
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Veröffentlicht in: | Journal of physical chemistry. C 2007-07, Vol.111 (26), p.9086-9094 |
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Hauptverfasser: | , , |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
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Zusammenfassung: | We use a cellular automaton model to describe corrosion of a metal with crystalline defects. The line defects are distributed over the material mimicking screw or edge dislocations. The line-defect density and the corrosion probabilities of the metal surface site are the model parameters accounting for the crystallographic aspect of corrosion. The corrosion probability is higher for a site located on a line-defect than otherwise. Varying the model parameters, we investigate the roughness of the metal surface considering both its geometrical and chemical aspects. A complicated surface structure with a high geometrical roughness appears if the defect density is not too high. We show a strong correlation between what we call chemical roughness and the properties of the produced particles by the corrosion front. A mean field description is used to analyze the simulation results. For the long time, the simulation results show that the topography of the corrosion front changes from a defect-controlled regime to a situation where the stochastic aspect is the dominant factor. |
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ISSN: | 1932-7447 1932-7455 |
DOI: | 10.1021/jp066680v |